4-[4-bromo-3-(bromomethyl)phenoxy]furo[3,2-c]pyridine

C14H9Br2NO2 — CID 90134280

IUPAC4-[4-bromo-3-(bromomethyl)phenoxy]furo[3,2-c]pyridine
SMILESBrCc1cc(Oc2nccc3occc23)ccc1Br
InChIInChI=1S/C14H9Br2NO2/c15-8-9-7-10(1-2-12(9)16)19-14-11-4-6-18-13(11)3-5-17-14/h1-7H,8H2
InChIKeyTYSXQVHXYMHEOR-UHFFFAOYSA-N
MW383.04 g/mol
LogP5.28
Rot. Bonds3

About 4-[4-bromo-3-(bromomethyl)phenoxy]furo[3,2-c]pyridine

4-[4-bromo-3-(bromomethyl)phenoxy]furo[3,2-c]pyridine (PubChem CID 90134280) has the molecular formula C14H9Br2NO2 and a molecular weight of 383.04 g/mol. Its IUPAC name is 4-[4-bromo-3-(bromomethyl)phenoxy]furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-[4-bromo-3-(bromomethyl)phenoxy]furo[3,2-c]pyridine
PubChem CID90134280
Molecular FormulaC14H9Br2NO2
Molecular Weight383.04 g/mol
Exact Mass380.90
IUPAC Name4-[4-bromo-3-(bromomethyl)phenoxy]furo[3,2-c]pyridine
SMILESBrCc1cc(Oc2nccc3occc23)ccc1Br
InChIInChI=1S/C14H9Br2NO2/c15-8-9-7-10(1-2-12(9)16)19-14-11-4-6-18-13(11)3-5-17-14/h1-7H,8H2
InChIKeyTYSXQVHXYMHEOR-UHFFFAOYSA-N
XLogP5.28
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.04
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-furo[3,2-c]pyridin-4-yloxyaniline
CID 90134289
1-(4-furo[3,2-c]pyridin-4-yloxyphenyl)-N,N-dimethylmethanamine
CID 56707437
3-bromo-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-5-methylpyrazin-2-amine
CID 90134293
4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]furo[3,2-c]pyridine
CID 75201961
3-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-2,4-dimethyl-2H-furan-5-one
CID 90134147
2-furo[3,2-c]pyridin-4-yloxyethanamine
CID 106535541
6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-5-methyl-1H-pyrazin-2-one
CID 130442523
4-[4-(2-cyclopropyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine
CID 130442503
N-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)pyridin-3-amine
CID 155563581
5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-4,6-dimethyl-1H-pyrimidin-2-one
CID 130442520
5-furo[3,2-c]pyridin-4-yloxy-2-(3-methylpyrazin-2-yl)phenol;4-[3-methoxy-4-(3-methylpyrazin-2-yl)phenoxy]furo[3,2-c]pyridine;phosphane;tribromoborane
CID 162014865
1-bromo-2-(bromomethyl)-4-(4-methoxybutoxy)benzene
CID 104648132

Frequently Asked Questions

What is the IUPAC name of 4-[4-bromo-3-(bromomethyl)phenoxy]furo[3,2-c]pyridine?
The IUPAC name of 4-[4-bromo-3-(bromomethyl)phenoxy]furo[3,2-c]pyridine (CID 90134280) is 4-[4-bromo-3-(bromomethyl)phenoxy]furo[3,2-c]pyridine.
What is the SMILES notation for 4-[4-bromo-3-(bromomethyl)phenoxy]furo[3,2-c]pyridine?
The canonical SMILES for 4-[4-bromo-3-(bromomethyl)phenoxy]furo[3,2-c]pyridine is BrCc1cc(Oc2nccc3occc23)ccc1Br.
What is the InChIKey of 4-[4-bromo-3-(bromomethyl)phenoxy]furo[3,2-c]pyridine?
The InChIKey is TYSXQVHXYMHEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2NO2/c15-8-9-7-10(1-2-12(9)16)19-14-11-4-6-18-13(11)3-5-17-14/h1-7H,8H2.
What are the key properties of 4-[4-bromo-3-(bromomethyl)phenoxy]furo[3,2-c]pyridine?
4-[4-bromo-3-(bromomethyl)phenoxy]furo[3,2-c]pyridine has a molecular weight of 383.04 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-bromo-3-(bromomethyl)phenoxy]furo[3,2-c]pyridine is sourced from PubChem (CID 90134280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).